Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.9187    0.3260   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3555   -0.8303    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183   -0.9687    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3943   -2.0725    0.5117 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203    0.1264    0.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    0.1236    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091    0.3810    1.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2779    0.3667    1.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269    0.1064    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691   -0.1417   -0.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162   -0.1371   -0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4815    0.1011    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0403    0.3388    1.4604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3389   -0.1713   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9873    0.4455   -0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.2026   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9692   -1.7016    0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203    0.5831    2.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356    0.5703    2.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559   -0.3482   -1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4744   -0.3446   -1.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029   -0.8796   -1.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3088   -0.5723   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5974    0.7577   -1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers